The electronic structure of the interface reveals that the WS2-GeC is a typical type-II heterostructure with the photoinduced electrons/holes transfer to the conduction/valence band of WS2 from the conduction/valence band of GeC, respectively. All the above suggest that the WS2-GeC composite has ...
Zhao, W. et al. Origin of indirect optical transitions in few-layer MoS2, WS2 and WSe2 .Nano Lett.13, 5627–5634 (2013). ArticleCASGoogle Scholar Zhang, Y. et al. Direct observation of the transition from indirect to direct bandgap in atomically thin epitaxial MoSe2 .Nature Nanotech.9...
Electronic band structures of single-crystal and single-layer WS2 are investigated by first-principles calculations based on local-density-functional theory using a plane-wave basis with ultrasoft pseudopotentials. The band structure calculated for the single crystal corresponds very well with experimental...
In this work, we have developed a high-throughput method to calculate the bandstructure of vdWHs at a very low computational cost, which can then be used for a rapid and effective screening for potential applications. This is based on the concept that, except for dielectric screening, the in...
We present a many-body calculation of the band structure and optical spectrum of the layered hybrid organic-inorganic halide perovskites in the Ruddlesden-Popper phase with the general formula A ^{'}_{2} ^{'}_{2} A _{n-1} _{n-1} M _{n} _... Y Cho,TC Berkelbach - 《Journal ...
The well-controlled chemical composition from WS2 to WSe2 gave rise to a tunable band structure of the shell while keeping it constant of the core, and thus a tunable band alignment of the heterojunction. As shown in Fig. 2a, the PL peak corresponding to WS2(1–x)Se2x shifts towards ...
Synthesis and enhanced electrochemical catalytic performance of monolayer WS2(1-x) Se2x with a tunable band gap. The first realization of a tunable band-gap in monolayer WS2(1-x) Se2x is demonstrated. The tuning of the bandgap exhibits a strong dependence of S and Se ... Qi,Fu,Lei,.....
Among them, molybdenum disulphide (MoS2) and tungsten disulphide (WS2) are some of the best candidates due to their favorable band gap values and band edge alignments. Here, various perturbative corrections to the DFT electronic structure, e.g. GW, spin-orbit coupling, as well as many-body ...
This chapter presents a unified physical picture of wide band-gap II–VI and III–V DMS—such as ZnO, ZnS, ZnSe, ZnTe, and GaN—on the basis of the state-of-the-art ab initio electronic structure calculation done by using the Korringa–K... Hiroshi Katayama℡oshida * †,Kazunori Sato...
The atomically modulated spatial variation in such electronic structures, i.e., a microscopic basis for the band structure of a WS2/Mo1−xWxS2 heterojunction, was directly observed. The macroscopic band structure of Mo1−xWxS2 alloy was well reproduced by the STS spectra averaged over the ...